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| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM16753 (2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM16754 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 2 (Homo sapiens (Human)) | BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 2 (Homo sapiens (Human)) | BDBM16753 (2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 2 (Homo sapiens (Human)) | BDBM16754 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM16751 ((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM16753 (2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 2 (Homo sapiens (Human)) | BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM16754 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pepsin A-4 (Homo sapiens (Human)) | BDBM16754 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pepsin A-4 (Homo sapiens (Human)) | BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pepsin A-4 (Homo sapiens (Human)) | BDBM16753 (2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pepsin A-4 (Homo sapiens (Human)) | BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 2 (Homo sapiens (Human)) | BDBM16751 ((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pepsin A-4 (Homo sapiens (Human)) | BDBM16751 ((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM16751 ((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Wyeth Research | Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o... | J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
